make[1]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.BASIC make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd cytosine && ./Run.cytosine diffing cytosine.out.save with cytosine.out PASSED ============================================================== cd nonper && ./Run.nonper diffing mdout.nonper.save with mdout.nonper PASSED ============================================================== cd nonper && ./Run.nonper.belly diffing mdout.belly.save with mdout.belly PASSED ============================================================== cd nonper && ./Run.nonper.belly.mask diffing mdout.belly.mask.save with mdout.belly.mask PASSED ============================================================== cd nonper && ./Run.nonper.min diffing mdout.min.save with mdout.min PASSED ============================================================== cd nonper && ./Run.cap diffing mdout.cap.save with mdout.cap PASSED ============================================================== cd nonper && ./Run.nonper.nocut diffing mdout.nocut.save with mdout.nocut PASSED ============================================================== cd tip4p && ./Run.tip4p diffing mdout.tip4p.save with mdout.tip4p PASSED ============================================================== cd tip4p && ./Run.tip4p_nve diffing mdout.tip4p_nve.save with mdout.tip4p_nve PASSED ============================================================== cd tip5p && ./Run.tip5p diffing mdout.tip5p.save with mdout.tip5p possible FAILURE: check mdout.tip5p.dif ============================================================== cd tip5p && ./Run.tip5p_nve diffing mdout.tip5p_nve.save with mdout.tip5p_nve PASSED ============================================================== cd 4096wat && ./Run.pure_wat diffing mdout.pure_wat.save with mdout.pure_wat PASSED ============================================================== cd 4096wat && ./Run.pure_wat_nmr_temp_reg diffing mdout.pure_wat_nmr_temp.save with mdout.pure_wat_nmr_temp PASSED ============================================================== cd 4096wat && ./Run.vrand diffing mdout.vrand.save with mdout.vrand PASSED ============================================================== cd 4096wat_oct && ./Run.pure_wat_oct diffing mdout.pure_wat_oct.save with mdout.pure_wat_oct PASSED ============================================================== diffing mdcrd.pure_wat_oct.save with mdcrd.pure_wat_oct PASSED ============================================================== cd dhfr && ./Run.dhfr diffing mdout.dhfr.save with mdout.dhfr PASSED ============================================================== cd dhfr && ./Run.dhfr.noboxinfo diffing mdout.dhfr.noboxinfo.save with mdout.dhfr.noboxinfo PASSED ============================================================== cd dhfr && ./Run.dhfr.noshake diffing mdout.dhfr.noshake.save with mdout.dhfr.noshake PASSED ============================================================== cd dhfr && ./Run.dhfr.min diffing mdout.dhfr.min.save with mdout.dhfr.min PASSED ============================================================== cd dhfr && ./Run.dhfr.lmodxmin diffing mdout.dhfr.lmodxmin.save with mdout.dhfr.lmodxmin PASSED ============================================================== cd variable_14 && ./Run.variable_14_ntb1 diffing variable_14_ntb1.mdout.save with variable_14_ntb1.mdout PASSED ============================================================== cd gact_ips && ./Run.ips diffing mdout.ips.save with mdout.ips PASSED ============================================================== cd gact_ips && ./Run.ipsnve diffing mdout.ipsnve.save with mdout.ipsnve PASSED ============================================================== cd gact_ips && ./Run.ips_sgld diffing mdout.ips_sgld.save with mdout.ips_sgld PASSED ============================================================== cd gact_ips && ./Run.ips_dfft diffing mdout.ips_dfft.save with mdout.ips_dfft PASSED ============================================================== cd gact_ips && ./Run.ips_vacuum diffing mdout.ips_vacuum.save with mdout.ips_vacuum PASSED ============================================================== cd polarizable_water && ./Run.pol_wat diffing mdout.polwat.save with mdout.polwat PASSED ============================================================== cd ubiquitin && ./Run.ubiquitin diffing mdout.ubiquitin.save with mdout.ubiquitin PASSED ============================================================== diffing mden.save with mden PASSED ============================================================== diffing mdcrd.save with mdcrd PASSED ============================================================== diffing mdvel.save with mdvel PASSED ============================================================== cd dna_pol && ./Run.dna_pol diffing mdout.dna_pol.save with mdout.dna_pol PASSED ============================================================== cd trx && ./Run.trx diffing mdout.trx.save with mdout.trx PASSED ============================================================== cd trx && ./Run.trx.cpln diffing mdout.trx.cpln.save with mdout.trx.cpln PASSED ============================================================== cd rdc && ./Run.dip diffing gcg.dip.o.save with gcg.dip.o PASSED ============================================================== cd rdc && ./Run.csa diffing gcg.csa.o.save with gcg.csa.o PASSED ============================================================== cd rdc && ./Run.csa_min diffing gcg.csa_min.o.save with gcg.csa_min.o PASSED ============================================================== cd pcsa && ./Run.dip diffing stem.dip.o.save with stem.dip.o PASSED ============================================================== cd pcsa && ./Run.csa diffing stem.csa.o.save with stem.csa.o PASSED ============================================================== cd pcsa && ./Run.csa2 diffing stem.csa2.o.save with stem.csa2.o PASSED ============================================================== cd pcsa && ./Run.csa_min diffing stem.csa_min.o.save with stem.csa_min.o PASSED ============================================================== cd tgtmd/change_target && ./Run.tgtmd SANDER: Targeted MD with changing target diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd tgtmd/change_target.rms && ./Run.tgtmd SANDER: Targeted MD with changing target and fit/rmsd to different regions diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd tgtmd/change_target.ntr && ./Run.tgtmd SANDER: Targeted MD with changing target and restraints DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd tgtmd/conserve_ene && ./Run.tgtmd SANDER: Targeted MD energy conservation test diffing tgtmd.out.save with tgtmd.out PASSED ============================================================== cd tgtmd/minimize && ./Run.tgtmin SANDER: Targeted minimization diffing tgtmin.out.save with tgtmin.out PASSED ============================================================== cd tgtmd/PME && ./Run.tgtPME SANDER: Targeted MD with PME diffing tgtmd.out.save with tgtmd.out possible FAILURE: check tgtmd.out.dif ============================================================== cd mtmdtest && ./Run.mtmdtest SANDER: Multiply-targeted MD, new to AMBER 11 Tested on an RNA duplex. diffing mtmdtest.out.save with mtmdtest.out PASSED ============================================================== diffing mtmdtest.mdcrd.save with mtmdtest.mdcrd PASSED ============================================================== cd trajene && ./Run.trajene diffing trajene.out.save with trajene.out PASSED ============================================================== diffing mdcrd.out.save with mdcrd.out PASSED ============================================================== cd trajene_box && ./Run.trajene DO_PARALLEL set to mpirun -np 4 This test cannot be run with more than 1 processor, exiting. ============================================================ cd trajene_netcdf && ./Run.trajene netcdf.mod ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trajene: Program error make[2]: [test.sander.BASIC] Error 1 (ignored) cd alp && ./Run.alp diffing mdout.alp.save with mdout.alp PASSED ============================================================== cd umbrella && ./Run.umbrella diffing mdout.umbrella.save with mdout.umbrella PASSED ============================================================== diffing chi_vs_t.save with chi_vs_t PASSED ============================================================== cd noesy && ./Run.noesy diffing noesy.out.mpi.save with noesy.out possible FAILURE: check noesy.out.dif ============================================================== cd jar && ./Run.jarz diffing mdout.jar.save with mdout.jar PASSED ============================================================== diffing dist_vs_t.save with dist_vs_t PASSED ============================================================== cd plane_plane_restraint && ./Run.dinuc_plpt SANDER: Dinucleoside restrained with new plane-point angle restraint that was defined with new natural language restraint input. DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd plane_plane_restraint && ./Run.dinuc_pln SANDER: Dinucleoside restrained with new plane-plane angle restraint that was defined with new natural language restraint input. DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting (Max = 2) ============================================================ cd iwrap2 && ./Run.iwrap2 diffing mdout.save with mdout.iw2 PASSED ============================================================== diffing mdcrd.save with mdcrd.iw2 PASSED ============================================================== diffing rstrt.save with rstrt.iw2 PASSED ============================================================== /bin/rm: No match. cd idecomp1 && ./run_idecomp1.sh diffing decomp.out.save with decomp.out PASSED ============================================================== cd idecomp4 && ./run_idecomp4.sh diffing decomp.out.save with decomp.out PASSED ============================================================== cd bintraj && ./Run.bintraj ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== sander was not built with netCDF support. diffing bintraj.out.save with bintraj.out possible FAILURE: check bintraj.out.dif ============================================================== make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd 4096wat && ./Run.column_fft diffing mdout.column_fft.save with mdout.column_fft PASSED ============================================================== export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd jar_multi && ./Run.jarz mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.jarz: Program error make[1]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_eth2meth_gas && ./Run.test1 DO_PARALLEL set to mpirun -np 4 number of processors for this test > 2, exiting... ============================================================ export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_eth2meth_gas && ./Run.test2 DO_PARALLEL set to mpirun -np 4 number of processors for this test > 2, exiting... ============================================================ export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_ggcc && ./Run.test1 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.test1: Program error make[1]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd ti_ggcc && ./Run.test2 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.test2: Program error make[1]: [test.sander.BASIC.MPI] Error 1 (ignored) export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.GB make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd gb_rna && ./Run.gbrna diffing mdout.gbrna.save with mdout.gbrna PASSED ============================================================== cd gb_rna && ./Run.gbrna.min diffing mdout.gbrna.min.save with mdout.gbrna.min PASSED ============================================================== cd gb_rna && ./Run.gbrna.ln diffing mdout.gbrna.ln.save with mdout.gbrna.ln PASSED ============================================================== cd gb_rna && ./Run.gbrna.ips diffing mdout.gbrna.ips.save with mdout.gbrna.ips PASSED ============================================================== cd gb_rna && ./Run.gbrna.sgld diffing mdout.gbrna.sgld.save with mdout.gbrna.sgld PASSED ============================================================== cd gbsa_xfin && ./Run.gbsa diffing mdout.gbsa.save with mdout.gbsa PASSED ============================================================== cd circ_dna && ./Run.circdna diffing mdout.circdna.save with mdout.circdna PASSED ============================================================== cd gb2_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb7_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb7_trx && ./Run.trxox_md diffing mdout.trxox_md.save with mdout.trxox_md PASSED ============================================================== cd gb8_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb8_trx && ./Run.trxox_md diffing mdout.trxox_md.save with mdout.trxox_md PASSED ============================================================== cd alpb_trx && ./Run.trxox diffing mdout.trxox.save with mdout.trxox PASSED ============================================================== cd gb1_cox2 && ./Run.cox2 diffing cox2.out.save with cox2.out PASSED ============================================================== make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd rem_gb_2rep && ./Run.rem /bin/rm: No match. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd rem_gb_4rep && ./Run.rem mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd rem_wat && ./Run.rem /bin/rm: No match. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 file ddtmp.rem.out.000 is short possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd rem_hybrid && ./Run.rem /bin/rm: No match. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== cat: rem.log: No such file or directory diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: rem.out.000: No such file or directory diffing rem.out.000.save with rem.out.000 file ddtmp.rem.out.000 is short possible FAILURE: check rem.out.000.dif ============================================================== /bin/rm: No match. cd sodium && ./Run.sodium mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.sodium: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd pheMTI && ./Run.0 diffing out.0.save with out.0 PASSED ============================================================== cd pheMTI && ./Run.1 diffing out.1.save with out.1 PASSED ============================================================== cd pheMTI && ./Run.lambda0 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.lambda0: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd pheMTI && ./Run.lambda1 mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.lambda1: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd campTI && ./Run.campTI mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.campTI: Program error make[1]: [test.sander.TI] Error 1 (ignored) cd softcore && ./Run_sc Running the Softcore potential tests ============================================================== Minimization test DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ Protein-Ligand complex test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.complex: Program error ============================================================== Solvation free energy test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.toluene: Program error mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.toluene2: Program error ============================================================== Dynamic lambda test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dynlmb: Program error ============================================================== Restrained complex test mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.complex_rst: Program error ============================================================== Using softcore electrostatics mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.ethanol: Program error ============================================================== Soft core test suite complete ============================================================== cd ti_decomp; ./Run.ti_decomp mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.ti_decomp: Program error make[1]: [test.sander.TI] Error 1 (ignored) export TESTsanderLES=/home/users3/cmt/amguo/amber/amber11/exe/sander.LES.MPI; make -k test.sander.LES make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd LES_noPME && ./Run.LESmd SANDER: LES MD gas phase diffing md.out.save with md.out PASSED ============================================================== cd LES_noPME && ./Run.LESmd.rdiel SANDER: LES MD gas phase rdiel diffing md.rdiel.out.save with md.rdiel.out possible FAILURE: check md.rdiel.out.dif ============================================================== cd LES && ./Run.PME_LES Amber 8 ADDLES and SANDER.LES test: addles: diffing output_addles.save with output_addles PASSED ============================================================== diffing LES.crd.save with LES.crd PASSED ============================================================== diffing LES.prmtop.save with LES.prmtop PASSED ============================================================== sander.LES: diffing md.LES.out.save with md.LES.out PASSED ============================================================== cd LES_CUT && ./Run.LES Amber 10 SANDER.LES test, no PME diffing md.LES.out.save with md.LES.out PASSED ============================================================== cd LES_TEMP && ./Run.2temp SANDER: LES T coupling diffing 2temp.out.save with 2temp.out PASSED ============================================================== cd LES_GB && ./Run.LES SANDER: LES+GB 1: GB/LES GB1 diffcoords diffing les.gb1.diffcrd.out.save with les.gb1.diffcrd.out PASSED ============================================================== 1: GB/LES GB1 samecoords diffing les.gb1.samecrd.out.save with les.gb1.samecrd.out PASSED ============================================================== 1: GB/LES GB5 samecoords diffing les.gb5.samecrd.out.save with les.gb5.samecrd.out PASSED ============================================================== 1: GB/LES GB7 samecoords diffing les.gb7.samecrd.out.save with les.gb7.samecrd.out PASSED ============================================================== 1: GB/LES GB7 diffcoords w/RDT diffing les.gb7.rdt.out.save with les.gb7.rdt.out PASSED ============================================================== make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd neb-testcases/neb_gb_partial && ./Run.neb_gb_partial mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== program error. make[1]: [test.neb] Error 1 (ignored) cd neb-testcases/neb_gb_full && ./Run.neb_gb_full mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== program error. make[1]: [test.neb] Error 1 (ignored) cd neb-testcases/neb_explicit && ./Run.neb_explicit mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. mdfil: Error unknown flag: -ng usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii radii -y inptraj] Consult the manual for additional options. ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 256 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== program error. make[1]: [test.neb] Error 1 (ignored) cd ncsu && ./run-parallel.sh >>>>>>> doing 'abmd_ANALYSIS' >>>>>>> doing 'abmd_FLOODING' >>>>>>> doing 'abmd_UMBRELLA' >>>>>>> doing 'smd' diffing save/mdout with mdout PASSED ============================================================== diffing save/smd.txt with smd.txt PASSED ============================================================== >>>>>>> doing 'pmd' diffing save/mdout with mdout PASSED ============================================================== diffing save/pmd.txt with pmd.txt PASSED ============================================================== >>>>>>> doing 'smd2' diffing save/mdout with mdout possible FAILURE: check mdout.dif ============================================================== cat: work.txt: No such file or directory diffing save/work.txt with work.txt possible FAILURE: check work.txt.dif ============================================================== >>>>>>> doing 'bbmd' >>>>>>> doing 'abremd' >>>>>>> doing 'mwabmd' >>>>>>> doing 'premd' cat: rem.log: No such file or directory diffing save/rem.log with rem.log possible FAILURE: check rem.log.dif ============================================================== cat: ncsu-pmd.log: No such file or directory diffing save/ncsu-pmd.log with ncsu-pmd.log possible FAILURE: check ncsu-pmd.log.dif ============================================================== cat: pmd.1.txt: No such file or directory diffing save/pmd.1.txt with pmd.1.txt possible FAILURE: check pmd.1.txt.dif ============================================================== cat: mdout.1: No such file or directory diffing save/mdout.1 with mdout.1 possible FAILURE: check mdout.1.dif ============================================================== cat: pmd.2.txt: No such file or directory diffing save/pmd.2.txt with pmd.2.txt possible FAILURE: check pmd.2.txt.dif ============================================================== cat: mdout.2: No such file or directory diffing save/mdout.2 with mdout.2 possible FAILURE: check mdout.2.dif ============================================================== cat: pmd.3.txt: No such file or directory diffing save/pmd.3.txt with pmd.3.txt possible FAILURE: check pmd.3.txt.dif ============================================================== cat: mdout.3: No such file or directory diffing save/mdout.3 with mdout.3 possible FAILURE: check mdout.3.dif ============================================================== cat: pmd.4.txt: No such file or directory diffing save/pmd.4.txt with pmd.4.txt possible FAILURE: check pmd.4.txt.dif ============================================================== cat: mdout.4: No such file or directory diffing save/mdout.4 with mdout.4 possible FAILURE: check mdout.4.dif ============================================================== export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.LES.MPI; make -k test.sander.PIMD.partial make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd PIMD/part_pimd_water && ./Run.pimd This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/part_nmpimd_water && ./Run.nmpimd This test not set up for parallel cannot run in parallel with #residues < #pes cd PIMD/part_pimd_helium && ./Run.pimd diffing hef_pimd.out.save with hef_pimd.out PASSED ============================================================== cd PIMD/part_nmpimd_helium && ./Run.nmpimd diffing hef_pimd.out.save with hef_pimd.out PASSED ============================================================== cd PIMD/part_nmpimd_ntp && ./Run.nmpimd diffing ntp_nmpimd.out.save with ntp_nmpimd.out PASSED ============================================================== diffing NHC.dat.save with NHC.dat PASSED ============================================================== cd PIMD/part_pimd_spcfw && ./Run.pimd diffing spcfw_pimd.top.save with spcfw_pimd.top PASSED ============================================================== diffing spcfw_pimd.xyz.save with spcfw_pimd.xyz PASSED ============================================================== diffing spcfw_pimd.out.save with spcfw_pimd.out PASSED ============================================================== cd PIMD/part_cmd_water/equilib && ./Run.cmdyn diffing h2o_les.top.save with h2o_les.top PASSED ============================================================== diffing h2o_les.crd.save with h2o_les.crd PASSED ============================================================== diffing cmd.out.save with cmd.out PASSED ============================================================== cd PIMD/part_cmd_water/start && ./Run.cmdyn diffing cmd.out.save with cmd.out PASSED ============================================================== cd PIMD/part_cmd_water/restart && ./Run.cmdyn diffing cmd.out.save with cmd.out PASSED ============================================================== cd PIMD/part_rpmd_water && ./Run.rpmd diffing spcfw_rpmd.top.save with spcfw_rpmd.top PASSED ============================================================== diffing spcfw_rpmd.xyz.save with spcfw_rpmd.xyz PASSED ============================================================== diffing spcfw_rpmd.out.save with spcfw_rpmd.out PASSED ============================================================== cd ti_mass/pent_LES_PIMD && ./Run.pentadiene This test not set up for parallel cannot run in parallel with #residues < #pes make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd PIMD/full_cmd_water/equilib && ./Run.full_cmd Testing Centroid MD program error. cd PIMD/full_cmd_water/start && ./Run.full_cmd Testing Centroid MD program error. cd PIMD/full_cmd_water/restart && ./Run.full_cmd Testing Centroid MD program error. cd PIMD/full_nmpimd_water && ./Run.full_pimd Testing Normal Mode PIMD program error. cd PIMD/full_pimd_amoeba && ./Run.full_pimd_amoeba Testing PIMD with amoeba force field program error. cd PIMD/full_pimd_ln_water && ./Run.full_pimd_ln Testing PIMD with langevin dynamics program error. cd PIMD/full_pimd_nhc_water && ./Run.full_pimd_nhc Testing PIMD with Nose-Hoover-Chain thermostat program error. cd PIMD/full_pimd_ntp_water && ./Run.full_pimd_ntp Testing constant pressure PIMD program error. cd PIMD/full_rpmd_water && ./Run.full_rpmd Testing RPMD program error. cd ti_mass/pentadiene && ./Run.pentadiene DO_PARALLEL set to mpirun -np 4 This test can be run only with two processes, exiting... export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; cd cnstph && ./Run.cnstph diffing mdout.save with mdout PASSED ============================================================== diffing cpout.save with cpout PASSED ============================================================== export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.QMMM make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_imaged forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4E69B9CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4672E29B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B93F91A8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB8207D8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.oct_nma_imaged: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.oct_nma_noimage forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ABB6A83CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6E4F29AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B83C0EA9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACC4E55DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.oct_nma_noimage: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.ortho_qmewald0 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD2A72DDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B51C8782B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B92DFEA6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B13D56AFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.ortho_qmewald0: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/xcrd_build_test/ && ./Run.truncoct_qmewald0 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD6FFB35B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC6482A3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3D29B44B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B200C877B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.truncoct_qmewald0: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0258C2BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B804C093B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1A0A164B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD00B843B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4811670B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1E5B25BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ABF0DE35B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3528B13B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_calc_mulliken forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B529D358B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC33A568B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1172E5DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2E0F364B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_calc_mulliken: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE6EA566B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA557609B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADC49717B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AEFDDDEDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_alpb forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B06DF7ADB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9DCE286B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0C50ED0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AAD18B4BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_alpb: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq1 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6D1F2E0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6D0CF2EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5997E66B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B128E67DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_aq1: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_aq2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA4E394CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0A5F1DCB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB9DCB5AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B78B3840B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_aq2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin_2 && ./Run.crambin_md_qmgb2_saltcon forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B60EDDB2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4C53058B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE6A1975B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB7C0F50B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_qmgb2_saltcon: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_internal forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB70724CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE818989B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF567251B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1490EE7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_internal: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspev forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B18D7C62B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B58E0A87B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD9CC2C1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0740BD6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dspev: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevd forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD5B4DC9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2578188B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE720540B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B34E0B1CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dspevd: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dspevx forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF23EEECB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6A9B81FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACCC828CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA35E6F3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dspevx: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyev forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2AB5C1AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC05A8D0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB885EADB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE588129B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dsyev: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevd forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3069859B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA79B000B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B26A7F86B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B344B576B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dsyevd: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_dsyevr forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1E0366DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC0BB1EAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5CAB8E9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7ECA157B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_dsyevr: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_test_diagonalizers && ./Run.1NLN_auto forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5B7C389B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B77EF8B9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B50CB481B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B17B5C08B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_auto: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_min forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4BFC96DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9064148B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3C70061B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7A77B1FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_min: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B08FBA7DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B17FC2B4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B605ACB2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF464735B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq1 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5E9F6B0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF1FE1F7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2DACDF6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5330872B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_aq1: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B70D9386B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD2EA89EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB38018AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE51E84DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_aq2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_mmcorr forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF1203EFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADA556D1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF16E6A4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B99D1B49B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_mmcorr: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_qmewald2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC89AF8AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFF2B183B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B974024BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0B173E7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_qmewald2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF51F516B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACF77874B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8525F33B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3EBBB50B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB92442CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B27076B5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA187A34B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B111A0DAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_aq2_NUMER_DERIV: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_dis_neg forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9893ACEB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF58F9D8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE1F92CFB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6EB79D1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_lnk_dis_neg: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/1NLN_periodic_lnk_atoms && ./Run.1NLN_MD_ntb1_lnk_method2 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD2E5B0FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B32168B9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0655F31B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ABB3FFC9B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_lnk_method2: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B549707BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B34E7702B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0E08B38B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0388860B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7C5A6FDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B876F004B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8A3577FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7917533B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD6CFA36B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B06E7284B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B32CA4C4B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC21D3FDB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md_pme: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7F493F0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B53DC950B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC842690B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B953D29BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md_pme_qmewald: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.notimaged_md_pme_qmewald_lowmem forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8533454B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7DF2505B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0412473B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8A671E8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.notimaged_md_pme_qmewald_lowmem: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7A14EB8B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0104B9EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB8E9053B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2BC7475B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.imaged: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.imaged_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AF04FCF2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9A58583B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4A98009B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4C20047B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.imaged_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AEF471A7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB4F04A1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD7380B5B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B474F61BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.img_center: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADCC9E23B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AB40FF85B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B993A01DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3B98245B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.img_center_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_periodic && ./Run.img_center_bigqmcut_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC978E97B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE9B9794B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AC28BA71B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B553EE18B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.img_center_bigqmcut_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFE75C5FB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8B532D6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B70FA852B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B56552F0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md_hot_start forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3583BDEB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B07646B7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B12D568CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFDCE54BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_hot_start: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/crambin && ./Run.crambin_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7C3DB01B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1A7F7EBB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AE15AE0CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACD13DA1B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B90844E3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5ECD86CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B34C1A8BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6D50658B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B758D28DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5BE55DAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7AFA8F2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA5F74C3B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap_md: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3F6C6F0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B59D000DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5B1A643B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B178CCC0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap_md.shake: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/tip3p_cap && ./Run.tip3p_cap_md.shake_qmshakeoff forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B9B445D2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AAB275AAB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5652474B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B45F9638B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip3p_cap_md.shake_qmshakeoff: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADFC5F55B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AEE3E123B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B743AFD6B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B2B8C27CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut && ./Run.MG_QM_water_MM_MD forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B93D2142B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B253B19AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B3BF9181B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD7E0A43B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM_MD: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_lowmem && ./Run.MG_QM_water_MM_MD forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B6759109B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B0946574B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4738807B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADC6D328B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM_MD: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B800A396B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B38E0F15B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADBBDC6EB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004A58E7 Unknown Unknown Unknown sander.MPI 00000000004935FE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B8F4243DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/MG_QM_water_MM_AM1_qmcut_ADDMM && ./Run.MG_QM_water_MM_MD forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ADEFCB86B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B08F927BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B625CD7DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004C4D3A Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B48446A7B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.MG_QM_water_MM_MD: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.mg_periodic_vsolv_wat forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B5E842D4F09 Unknown Unknown Unknown libmpich.so.1.2 00002B5E842D78C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B5E85E3BB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B15C27A5F09 Unknown Unknown Unknown libmpich.so.1.2 00002B15C27A88C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B15C430CB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B1E59F8BF09 Unknown Unknown Unknown libmpich.so.1.2 00002B1E59F8E8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B1E5BAF2B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B7665F19F09 Unknown Unknown Unknown libmpich.so.1.2 00002B7665F1C8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7667A80B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.mg_periodic_vsolv_wat: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/variable_solvent && ./Run.1NLN_MD_ntb1_vsolv forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002BA6BDBB6F09 Unknown Unknown Unknown libmpich.so.1.2 00002BA6BDBB98C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002BA6BF71DB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002AEC7C319F09 Unknown Unknown Unknown libmpich.so.1.2 00002AEC7C31C8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AEC7DE80B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B7673BF1F09 Unknown Unknown Unknown libmpich.so.1.2 00002B7673BF48C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B7675758B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libmpich.so.1.2 00002B8810A89F09 Unknown Unknown Unknown libmpich.so.1.2 00002B8810A8C8C3 Unknown Unknown Unknown sander.MPI 0000000000642585 Unknown Unknown Unknown sander.MPI 00000000006EBC0D Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B88125F0B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.1NLN_MD_ntb1_vsolv: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) cd qmmm2/PM3-MMX && ./Run.crambin_md_pm3mmx forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AFA6DF23B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002B4979750B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002ACE06A89B7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source sander.MPI 00000000007228D2 Unknown Unknown Unknown sander.MPI 0000000000636829 Unknown Unknown Unknown sander.MPI 00000000006EC640 Unknown Unknown Unknown sander.MPI 00000000004CDBB2 Unknown Unknown Unknown sander.MPI 00000000004939CE Unknown Unknown Unknown sander.MPI 0000000000491BDD Unknown Unknown Unknown sander.MPI 00000000004030DC Unknown Unknown Unknown libc.so.6 00002AD77152AB7D Unknown Unknown Unknown sander.MPI 0000000000402FD9 Unknown Unknown Unknown ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 44544 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.crambin_md_pm3mmx: Program error make[2]: [test.sander.QMMM] Error 1 (ignored) make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' export TESTsander=/home/users3/cmt/amguo/amber/amber11/exe/sander.MPI; make -k test.sander.DFTB make[2]: Entering directory `/home/users3/cmt/amguo/amber/amber11/test' cd qmmm_DFTB/crambin_DFTB && ./Run.crambin DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md_hot_start DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_DFTB && ./Run.crambin_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_calc_mulliken DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_alpb DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/crambin_2_DFTB && ./Run.crambin_md_qmgb2_saltcon DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_link_atoms DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb1_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_ewald_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_link_atoms_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/aladip_tip3p_ewaldpme && ./Run.aladip_pme_ntb2_telec DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut && ./Run.MG_QM_water_MM_MD DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.notimaged_md_pme_qmewald DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.imaged_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_periodic && ./Run.img_center_bigqmcut_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/MG_QM_water_MM_DFTB_qmcut_lowmem && ./Run.MG_QM_water_MM_MD DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/tip3p_cap_DFTB && ./Run.tip3p_cap_md.shake_qmshakeoff DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_min DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_dis_neg DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_lnk_method2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq1_disp DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_aq2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb1_qmewald2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/1NLN_periodic_lnk_atoms_DFTB && ./Run.1NLN_MD_ntb2 DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PA DFTB SLKO files not found - Skipping Test... cd qmmm_DFTB/3rd-order/ala8 && ./Run.ala8_PR DFTB SLKO files not found - Skipping Test... make[2]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' cd evb/malon_bond_umb_GAFF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_EXP-XCH_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_GAFF_MORSIFY_XVDW_GAUSS-XCH_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_emap_GAFF_MORSIFY && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_emap_GAFF_MORSIFY_XVDW && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_bond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbond_umb_dg_UFF_3DG_pimd_nhc_full_TI-MASS && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_2D-PMF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/malon_dbonds_umb_dg_UFF_3DG_qi_full_corrF && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_3DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_ld_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_pimd_nhc_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ cd evb/poh_dbonds_umb_dg_UFF_9DG_nmpimd_full_TST-freqf && ./Run.evb DO_PARALLEL set to mpirun -np 4 too many processors for this test, exiting ============================================================ export TESTsander='../../exe/pmemd.MPI'; cd 4096wat && ./Run.pure_wat [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.pure_wat: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd 4096wat && ./Run.pure_wat_nmr_temp_reg [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.pure_wat_nmr_temp_reg: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd 4096wat && ./Run.vrand [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.vrand: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd 4096wat_oct && ./Run.pure_wat_oct [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.pure_wat_oct: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd alp && ./Run.alp [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.alp: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd cytosine && ./Run.cytosine [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.cytosine: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd dhfr && ./Run.dhfr [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd dhfr && ./Run.dhfr.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd dhfr && ./Run.dhfr.noshake [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr.noshake: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd variable_14 && ./Run.variable_14_ntb1 [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.variable_14_ntb1: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd trx && ./Run.trx [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trx: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd trx && ./Run.trx.cpln.pmemd [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trx.cpln.pmemd: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb_rna && ./Run.gbrna [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.gbrna: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb_rna && ./Run.gbrna.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.gbrna.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb_rna && ./Run.gbrna.ln [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.gbrna.ln: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd circ_dna && ./Run.circdna [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.circdna: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb2_trx && ./Run.trxox.nogbsa [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trxox.nogbsa: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb7_trx && ./Run.trxox_md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trxox_md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd alpb_trx && ./Run.trxox.nogbsa [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.trxox.nogbsa: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd gb1_cox2 && ./Run.cox2 [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.cox2: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip4p && ./Run.tip4p [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip4p: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip4p && ./Run.tip4p_nve [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip4p_nve: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip5p && ./Run.tip5p [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip5p: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../exe/pmemd.MPI'; cd tip5p && ./Run.tip5p_nve [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.tip5p_nve: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr && ./Run.dhfr_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap && ./Run.dhfr_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm_noshake.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm_noshake.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm_noshake.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.min [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm.min: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) export TESTsander='../../../../exe/pmemd.MPI'; cd chamber/md_engine/dhfr_cmap_pbc && ./Run.dhfr_cmap_pbc_charmm.md [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) [proxy:0:0@master] HYDU_create_process (./utils/launch/launch.c:68): execvp error on file ../../../../exe/pmemd.MPI (No such file or directory) ===================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = EXIT CODE: 65280 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================== ./Run.dhfr_cmap_pbc_charmm.md: Program error make[1]: [test.parallel.pmemd] Error 1 (ignored) Finished parallel test suite for Amber 11 at Mon Aug 1 11:25:33 PDT 2011. Some tests require 4 threads to run, while some will not run with more than 2. Please run further parallel tests with the appropriate number of processors. See README for details. make[1]: Leaving directory `/home/users3/cmt/amguo/amber/amber11/test' 109 file comparisons passed 25 file comparisons failed 425 tests experienced errors